UCSF

ZINC45629120

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 9.49 -51.68 2 3 1 34 256.373 4
Hi High (pH 8-9.5) 3.12 8.19 -8.7 1 3 0 29 255.365 4
Lo Low (pH 4.5-6) 3.12 9.93 -102.63 3 3 2 35 257.381 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )